Basic information
- CAS
89182-75-2- Standard SMILES
NC(=O)n1sccc1=O- InChIKey
SFIRWTMKAWEABD-UHFFFAOYSA-N- Molecular formula
- C4H4N2O2S
- Average molar mass
- 144.15 g/mol
- Monoisotopic mass
- 143.99934855
Names & identifiers
- Preferred name
- 3-Oxo-1,2-thiazole-2-carboxamide
- IUPAC
- 3-oxo-1,2-thiazole-2-carboxamide
- English name
- 2(3H)-Isothiazolecarboxamide,3-oxo-(9CI)
- Molecular formula
- C4H4N2O2S
- Molecular weight
- 144.15176
Names & synonyms
AKOS0063510442(3H)-Isothiazolecarboxamide,3-oxo-(9CI)
Database identifiers
- CAS
89182-75-2- PubChem CID
- 45084244
- Nikkaji
- J2.253.042I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 189
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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